Information card for entry 4335111

Structure parameters

• Formula: C36 H44 Br4 N4 O2 Pt2 S4
• Calculated formula: C36 H44 Br4 N4 O2 Pt2 S4
• Title of publication: A Comparative Study on Dinuclear and Multinuclear Ni(II), Pd(II), and Pt(II) Complexes of a Thiolato-Functionalized, Benzannulated N-Heterocyclic Carbene Ligand
• Authors of publication: Dan Yuan; Han Vinh Huynh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6627 - 6634
• a: 13.0288 ± 0.0007 Å
• b: 7.8627 ± 0.0005 Å
• c: 21.6471 ± 0.0012 Å
• α: 90°
• β: 107.221 ± 0.001°
• γ: 90°
• Cell volume: 2118.1 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No